5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide

C23H26N2O4 — CID 26253288

IUPAC5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCC(C)C
InChIInChI=1S/C23H26N2O4/c1-4-29-20-10-9-16(13-19(20)21(26)24-12-11-15(2)3)14-25-22(27)17-7-5-6-8-18(17)23(25)28/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,24,26)
InChIKeyQAVMPUDRFRKHAZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.66
Rot. Bonds8

About 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide

5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide (PubChem CID 26253288) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide
PubChem CID26253288
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCC(C)C
InChIInChI=1S/C23H26N2O4/c1-4-29-20-10-9-16(13-19(20)21(26)24-12-11-15(2)3)14-25-22(27)17-7-5-6-8-18(17)23(25)28/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,24,26)
InChIKeyQAVMPUDRFRKHAZ-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 2691586
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224613
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 27770108
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
N-cycloheptyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 7927858
N-cyclooctyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 2533311
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39513518
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[3-(1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 71850059
(1-methoxy-1-oxopropan-2-yl) 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 16569725
[2-(3-methylbutylamino)-2-oxoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 2667813
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide
CID 55341064
(1-anilino-1-oxopropan-2-yl) 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate
CID 42974938

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide (CID 26253288) is 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCC(C)C.
What is the InChIKey of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide?
The InChIKey is QAVMPUDRFRKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-29-20-10-9-16(13-19(20)21(26)24-12-11-15(2)3)14-25-22(27)17-7-5-6-8-18(17)23(25)28/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,24,26).
What are the key properties of 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide?
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 26253288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).